2-{[(3α,5Beta,9Xi)-24-Oxo-3-(Sulfooxy)Cholan-24-Yl]Amino}Ethanesulfonic Acid
Properties
| Property | Value |
|---|---|
| Formula | C26H47NO8S2 |
| IUPAC Name | [(3r,5r,8r,9s,10s,13r,14s,17r)-10,13-dimethyl-17-[(1r)-1-methyl-4-oxo-4-(2-sulfoethylamino)butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate |
| Molecular Mass | 565.783 g·mol−1 |
| Heat of Formation | -1725.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.82 ± 1.08 D |
| Volume | 664.88 Å 3 |
| Surface Area | 515.6 Å 2 |
| HOMO Energy | -9.98 ± 0.55 eV |
| LUMO Energy | 2.99 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HSNPMXROZIQAQD-BQFCQYIHSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |